Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

In this study, pharmacophore based 3D QSAR models for human acetylcholinesterase (AChE) inhibitors were generated, with good significance, statistical values (r(2)(training) = 0.73) and predictability (q(2)(training) = 0.67). It was further validated by three methods (Fischer’s test, decoy set and G...

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Publicado no:Sci Rep
Main Authors: Jang, Cheongyun, Yadav, Dharmendra K., Subedi, Lalita, Venkatesan, Ramu, Venkanna, Arramshetti, Afzal, Sualiha, Lee, Eunhee, Yoo, Jaewook, Ji, Eunhee, Kim, Sun Yeou, Kim, Mi-hyun
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2018
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6175823/
https://ncbi.nlm.nih.gov/pubmed/30297729
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-33354-6
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